1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane

C12H10F16 — CID 163290372

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane
SMILESCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H10F16/c1-2-3-4-6(15,16)8(19,20)10(23,24)12(27,28)11(25,26)9(21,22)7(17,18)5(13)14/h5H,2-4H2,1H3
InChIKeyDLIGZVNEHJMSGK-UHFFFAOYSA-N
MW458.18 g/mol
LogP6.89
Rot. Bonds10

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane (PubChem CID 163290372) has the molecular formula C12H10F16 and a molecular weight of 458.18 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane
PubChem CID163290372
Molecular FormulaC12H10F16
Molecular Weight458.18 g/mol
Exact Mass458.05
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane
SMILESCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H10F16/c1-2-3-4-6(15,16)8(19,20)10(23,24)12(27,28)11(25,26)9(21,22)7(17,18)5(13)14/h5H,2-4H2,1H3
InChIKeyDLIGZVNEHJMSGK-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.18
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4-octafluorodecane
CID 10613179
N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine
CID 170096057
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridecan-1-ol
CID 121403329
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorodecyl 2-heptylundecanoate
CID 139714172
9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
CID 121403458
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
CID 16557800
CID 16557800

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane (CID 163290372) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane is CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane?
The InChIKey is DLIGZVNEHJMSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F16/c1-2-3-4-6(15,16)8(19,20)10(23,24)12(27,28)11(25,26)9(21,22)7(17,18)5(13)14/h5H,2-4H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane has a molecular weight of 458.18 g/mol, XLogP of 6.89, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane is sourced from PubChem (CID 163290372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).